⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9718158 | 0.81 | — | — | |
| SCHEMBL9718159 | 0.81 | — | — | |
| SCHEMBL27740007 | 0.79 | — | — | |
| SCHEMBL24038577 | 0.75 | — | — | |
| SCHEMBL21342595 | 0.75 | — | — | |
| SCHEMBL20309834 | 0.73 | — | — | |
| SCHEMBL320259 | 0.73 | — | — | |
| SCHEMBL320260 | 0.73 | — | — | |
| SCHEMBL24637765 | 0.72 | — | — | |
| SCHEMBL10778424 | 0.70 | ALDH1A1 (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10851065-B2 | Tetrasubstituted alkene compounds and their use | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2020-12-01 | — | — | US | disclosed |
| US-20180127378-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-05-10 | — | — | US | disclosed |